ChemSpider 2D Image | Isopersin | C23H40O4

Isopersin

  • Molecular FormulaC23H40O4
  • Average mass380.561 Da
  • Monoisotopic mass380.292664 Da
  • ChemSpider ID24693347

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(12Z,15Z)-1-Hydroxy-4-oxo-12,15-henicosadien-2-yl acetate [ACD/IUPAC Name]
(12Z,15Z)-1-Hydroxy-4-oxo-12,15-henicosadien-2-yl-acetat [German] [ACD/IUPAC Name]
12,15-Heneicosadien-4-one, 2-(acetyloxy)-1-hydroxy-, (12Z,15Z)- [ACD/Index Name]
Acétate de (12Z,15Z)-1-hydroxy-4-oxo-12,15-hénicosadién-2-yle [French] [ACD/IUPAC Name]
Isopersin
(12Z,15Z)-1-hydroxy-4-oxohenicosa-12,15-dien-2-yl acetate
1-Hydroxy-4-oxo-12,15-heneicosadien-2-yl acetate
219948-37-5 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL465394/

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

616T05300E [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 504.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.1±6.0 kJ/mol
Flash Point: 160.4±23.6 °C
Index of Refraction: 1.481
Molar Refractivity: 112.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 7.09
ACD/LogD (pH 5.5): 6.48
ACD/BCF (pH 5.5): 49399.30
ACD/KOC (pH 5.5): 79679.69
ACD/LogD (pH 7.4): 6.48
ACD/BCF (pH 7.4): 49399.30
ACD/KOC (pH 7.4): 79679.69
Polar Surface Area: 64 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 393.9±3.0 cm3

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